6-(4-butylphenyl)-2,4,7,8-tetramethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(4-butylphenyl)-2,4,7,8-tetramethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-butylphenyl)-2,4,7,8-tetramethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-butylphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-butylphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-butylphenyl)-2,4,7,8-tetramethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)C)C)C

InChI

InChI=1S/C21H25N5O2/c1-6-7-8-15-9-11-16(12-10-15)25-13(2)14(3)26-17-18(22-20(25)26)23(4)21(28)24(5)19(17)27/h9-12H,6-8H2,1-5H3